| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7956948 | Computational Materials Science | 2018 | 7 Pages |
Abstract
An improved modified embedded-atom method (MEAM) potential for Si was optimized. The potential could quite well fit the potential energy curve and the elastic constants of diamond Si, the pair correlation function, the structure factor and the bond angle distribution function of liquid Si. The potential could also well fit the melting point and the solid-liquid phase transformation enthalpy. The potential could be used to study the solid-liquid transformation behaviors and the liquid structure of Si, and it could also be used to develop a MEAM potential for the binary Al-Si alloy.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Xiusong Huang, Xixi Dong, Lehua Liu, Peijie Li,